76287-49-5

Basic information

• Product Name: 1-BROMO-4-N-HEPTYLBENZENE
• Synonyms: P-BROMOHEPTYLBENZENE;1-BROMO-4-N-HEPTYLBENZENE;1-(4-BROMOPHENYL)HEPTANE;4-BROMOHEPTYLBENZENE;4-N-HEPTYLBROMOBENZENE;1-bromo-4-heptylbenzene;4-heptylbromobenzene;1-Bromo-4-heptylbenzene (stabilized with Copper chip)
• CAS NO: 76287-49-5
• Molecular Formula: C₁₃H₁₉Br
• Molecular Weight: 255.19
• Product Categories: 4-Alkylbromobenzenes (Building Blocks for Liquid Crystals);Building Blocks for Liquid Crystals;Functional Materials
• Mol File: 76287-49-5.mol

Chemical Properties

• Boiling Point: 190 °C / 35mmHg
• Flash Point: 161 °C
• Appearance: liquid
• Density: 1.15
• Vapor Pressure: 0.00246mmHg at 25°C
• Refractive Index: 1.5170-1.5190
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 1-BROMO-4-N-HEPTYLBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-BROMO-4-N-HEPTYLBENZENE(76287-49-5)
• EPA Substance Registry System: 1-BROMO-4-N-HEPTYLBENZENE(76287-49-5)

Safety Data

• TSCA: Yes
• Hazardous Substances Data: 76287-49-5(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
1-BROMO-4-N-HEPTYLBENZENE is used as a reagent in organic synthesis for the introduction of bromine atoms into organic molecules, which is crucial for the development of new chemical compounds and materials.
Used in Research:
In research settings, 1-BROMO-4-N-HEPTYLBENZENE serves as a valuable tool for studying the properties and reactions of bromine-containing compounds, contributing to the advancement of organic chemistry knowledge.
Used in Specialty Chemicals Production:
1-BROMO-4-N-HEPTYLBENZENE is utilized in the production of specialty chemicals, where its bromine atom introduction capability is essential for creating unique chemical properties required for specific applications.
Used in Pharmaceutical Industry:
Within the pharmaceutical industry, 1-BROMO-4-N-HEPTYLBENZENE is used as a building block in the synthesis of various pharmaceutical compounds, potentially leading to the development of new drugs with improved therapeutic effects.
Used in Agrochemicals Production:
In the agrochemical sector, 1-BROMO-4-N-HEPTYLBENZENE is employed in the synthesis of agrochemicals, such as pesticides and herbicides, where its bromine-containing properties can enhance the effectiveness and selectivity of these products.
It is important to handle 1-BROMO-4-N-HEPTYLBENZENE with care, as it is classified as a hazardous substance. Proper ventilation and personal protective equipment are necessary when working with 1-BROMO-4-N-HEPTYLBENZENE to ensure safety.

InChI:InChI=1/C13H19Br/c1-2-3-4-5-6-7-12-8-10-13(14)11-9-12/h8-11H,2-7H2,1H3

Upstream product

• 108-86-1 bromobenzene 
• 106-37-6 1.4-dibromobenzene 
• 72245-81-9 9-heptyl-9-borabicyclo<3,3,1>nonane 
• 2528-61-2 Heptanoic acid chloride 
• 108-90-7 chlorobenzene 
• 629-04-9 1-Bromoheptane 
• 1078-71-3 heptylbenzene 
• 76287-59-7 1-bromo-4-(hept-1-en-1-yl)benzene 
• 99474-02-9 1-(4-bromophenyl)heptan-1-one 
• 1122-91-4 4-bromo-benzaldehyde 
• 3761-92-0 n-hexylmagnesium bromide 
• 71434-33-8 4-(1-hydroxyheptyl)-1-bromobenzene 

Downstream Products

• 76287-52-0 C₃₉H₅₇OP 
• 1359844-04-4 4-heptylphenylboronic acid pinacol ester 
• 1246018-83-6 C₃₀H₃₃NO₃ 
• 1290541-87-5 2,3,4,5-tetrakis(4-n-heptylphenylseleno)thiophene 
• 1290541-97-7 p-(n-heptyl)phenyl 2-thienyl selenide 
• 1290541-63-7 di(4-n-heptylphenyl) diselenide 
• 201600-36-4 1,2-Bis-(4-heptyl-phenyl)-ethane-1,2-dione 
• 256383-44-5 4-(n-heptyl)phenylboronic acid 

Relevant articles and documents

Two flavors of PEPPSI-IPr: Activation and diffusion control in a single NHC-ligated Pd catalyst?

Abnormal reactivity has been observed in Negishi, Suzuki-Miyaura, and Kumada-Tamao-Corriu cross-couplings in which PEPPSI-IPr (where PEPPSI stands for pyridine enhanced precatalyst preparation, stabilization, and initiation and IPr refers to the NHC ligand) is employed, implicating the presence of two distinct Pd0 species in the catalytic cycle. Polybrominated arenes and organometallic reagents react selectively to give the product of exhaustive polysubstitution regardless of the initial reaction stoichiometry. Competition experiments suggest that, after an initial activation controlled oxidative addition, reductive elimination produces an ultrareactive Pd0 species which consumes all remaining C-Br bonds in the molecule under diffusion control.

Iron-catalyzed reductive dehydroxylation of benzylic alcohols using polymethylhydrosiloxane (PMHS)

The combination of FeCl3 and PMHS is an efficient reducing system for the selective dehydroxylation of secondary benzylic alcohols, even in the presence of carbonyls, under very mild conditions. Georg Thieme Verlag Stuttgart · New York.

Discotic liquid crystals of transition metal complexes, 31: Establishment of mesomorphism and thermochromism of bis[1,2-bis(4-n-alkoxyphenyl)ethane-1,2-dithiolene]nickel complexes

Two series of bis[1,2-bis(4-n-alkylphenyl)ethane-1,2-dithiolene]nickel, Cn-Ni (n= 1-12), and bis[1,2-bis(4-n-alkoxyphenyl)ethane-1,2-dithiolene]nickel, CnO-Ni(n = 1-12, 14, 16, 18), have been synthesized. Their mesomorphism, thermochromism, supramolecular structures and π-acceptor property have been investigated by using different scanning calorimetry, polarizing microscopy, temperature-dependent X-ray diffraction technique, electronic spectroscopy and cyclic voltammetry. From the X-ray diffraction and electronic spectral results, it was established that the CnO-Ni complexes for n ≤ 10 exhibit two differently colored discotic lamellar (DL) mesophases whereas none of the Cn-Ni complexes has a mesophase, and that the thermochromism (brown→green) is attributable to a slow transformation from the Ni-Ni bonded dimers to the Ni-S bonded dimers.

The Synthesis and Transition Temperatures of Some 4,4"-dialkyl- and 4,4"-Alkoxyalkyl-1,1':4',1"-terphenyls with 2,3- or 2',3'-difluoro Substituents and of their Biphenyl Analogues

The tetrakis(triphenylphosphine)palladium(o)-catalysed coupling of arylboronyc acids with aryl halides is used to prepare several 4,4"-dialkyl- and 4,4"-alkoxyalkyl-1,1':4',1"-terphenyls with 2,3- or 2',3'-difluoro substituents and their related biphenyl systems.Lithiation ortho to a 1,2-difluoroaromatic unit provides the route to the 2,3-difluoroarylboronic acids.The 2,3-difluoro substituted terphenyls are low-melting liquid crystals with wide-range Sc phases and no underlying smectic phase; these compounds are excellent hosts for ferroelectric systems.The compounds with widest Sc ranges are those with the difluoro substituents in an end ring and the compounds with difluoro substituents in the central ring show more nematic character and so are useful for ECB devices.

Preparation and Properties of Tertiary p-Alkylarylphosphines containing Straight-chain Alkyl Groups

A series of tris(p-alkylaryl)phosphines with straight-chain alkyl groups, P(p-C6H4-CnH2n+1)3 where n=2-9, have been prepared by reaction of phosphorus trichloride with the Grignard reagent derived from the corresponding p-bromoalkylbenzene.When n=2 and 3 the phosphines are crystalline solids, but for n>3 they are viscous oils up to n=9, which is a waxy solid.The phosphines have been characterised by microanalysis, and i.r., 1H and 31P n.m.r., and mass spectrometry.The p-substituted-arylphosphines are more sensitive than triphenylphosphine to air; aerial oxidation converts them exclusively into the corresponding phosphine oxides, in contrast to trialkylphosphines which are oxidised to a complex mixture of products.The complexing ability of the new phosphines (PAr3) is demonstrated by their ready displacement of 1,5-cyclo-octadiene (cod) from (M=Pd and Pt) to yield trans- and cis-, respectively.